HRID2347136

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID11140073

未命名化合物

HCID13101074

Phenyl 1,3-benzothiazol-2-ylcarbamate

C14H10N2O2S

PRODUCTS

生成物

结构：CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nc4ccccc4s3)CC2)c2ccccc21

HCID12108782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ced51046c9d4d2c8953cdc8f4519fc0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:41][S:42]([CH3:43])=[O:44].[CH3:4][S:5](=[O:6])(=[O:7])[N:8]1[CH2:9][C:10]2([c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]31)[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]2.[ClH:3].[Na+:2].[OH-:1].[OH2:45].[s:22]1[c:23]([NH:31][C:32]([O:33][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)=[O:34])[n:24][c:25]2[c:26]1[cH:27][cH:28][cH:29][cH:30]2>>[CH3:4][S:5](=[O:6])(=[O:7])[N:8]1[CH2:9][C:10]2([c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]31)[CH2:17][CH2:18][N:19]([C:32]([NH:31][c:23]1[s:22][c:26]3[c:25]([n:24]1)[cH:30][cH:29][cH:28][cH:27]3)=[O:33])[CH2:20][CH2:21]2